chempirical

1,3-Difluoro-2-nitrobenzene

C6H3F2NO2CAS 19064-24-5159.09 g/mol

Open in Covalent MOL file
ON+O−FF
Aryl halideNitro

Properties

Molecular formula
C6H3F2NO2
Molar mass
159.09 g/mol
Exact mass
159.0132 Da
Melting point
74 °C
logP
1.87Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
19064-24-5
SMILES
O=[N+]([O-])c1c(F)cccc1F
InChIKey
SSNCMIDZGFCTST-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Benzene, 1,3-difluoro-2-nitro-
  • 2,6-Difluoronitrobenzene
  • 2,6-Difluoro-1-nitrobenzene

Work with 1,3-Difluoro-2-nitrobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Chloro-3-fluoro-2-nitrobenzene64182-61-275 % similar 1-Bromo-3-fluoro-2-nitrobenzene886762-70-575 % similar 3-Fluoro-2-nitrophenol385-01-372 % similar 3-Fluoro-2-nitrobenzenamine567-63-572 % similar 3-Fluoro-2-nitrobenzonitrile1000339-52-566 % similar 3-Fluoro-2-nitrobenzoic acid1000339-51-462 % similar 1-Fluoro-2-nitrobenzene1493-27-261 % similar 1,3,5-Trifluoro-2-nitrobenzene315-14-061 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Difluoro-5-nitrobenzene2265-94-3 2,5-Difluoronitrobenzene364-74-9 3,4-Difluoronitrobenzene369-34-6 2,4-Difluoronitrobenzene446-35-5 1,2-Difluoro-3-nitrobenzene6921-22-8 3,5-Difluoropyridine-2-carboxylic acid745784-04-7

Elsewhere

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